Geometry & MOs

Info

ID:	379380
PubChem CID:	134419239
Reduced:	N4O4C31H42 (1)
Stoich.:	A4B4C31D42 (1)
Weight, g/mol:	807.617898
ΔH_f, kcal/mol:	-131.83
Dipole, Da:	3.16
IP(EA), eV:	-8.17(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[9-[8-(5-ethyl-1,2-dihydrotriazol-3-yl)octyl]-7-methylcarbazol-2-yl]-9-heptadecan-9-yl-7-methylcarbazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(N2CCCCCCCCN4C=C(NN4)COC(=O)C(C)C(C)C(=O)O)C=C(C=C3)C

DOS

IR

Vibrations