Geometry & MOs

Info

ID:	319678
PubChem CID:	126657000
Reduced:	N7O8C32H47 (1)
Stoich.:	A7B8C32D47 (1)
Weight, g/mol:	165.15175
ΔH_f, kcal/mol:	-237.81
Dipole, Da:	5.33
IP(EA), eV:	-8.25(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,3E,5Z)-4-tert-butylhepta-1,3,5-trien-1-amine

Drug info:

PubChemData

Smile

CN1CCCC2=C3C[C@@H]1[C@@H]4CC=C([C@@H](C4)OC2=C(C=C3)OC)OC(=O)N(C)CCNC(=O)[C@H](CCCN=C(N)N)NC(=O)CC(=O)O

DOS

IR

Vibrations