Geometry & MOs

Info

ID:	325267
PubChem CID:	126682403
Reduced:	N3C11H21 (3)
Stoich.:	A3B11C21 (3)
Weight, g/mol:	185.177964
ΔH_f, kcal/mol:	-46.71
Dipole, Da:	2.46
IP(EA), eV:	-8.59(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(aminomethyl)-2,7-dimethyloctan-3-one

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)N(C)C2=NC(=NC(=N2)N(C)C3CC(NC(C3)(C)C)(C)C)N(C)C4CC(NC(C4)(C)C)(C)C)C

DOS

IR

Vibrations