Geometry & MOs

Info

ID:	299738
PubChem CID:	117689039
Reduced:	N3O13C31H52 (2)
Stoich.:	A3B13C31D52 (2)
Weight, g/mol:	209.177964
ΔH_f, kcal/mol:	-1223.58
Dipole, Da:	19.59
IP(EA), eV:	-9.44(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-(aminomethyl)-7,9-dimethyldeca-6,8-dien-5-one

Drug info:

Smile

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)CC(C(C(C(CO)O)OC3C(C(C(C(O3)CO)O)OC4(CC(C(C(O4)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O

DOS

IR

Vibrations