Geometry & MOs

Info

ID:	161899
PubChem CID:	57392992
Reduced:	O2N4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	469.168768
ΔH_f, kcal/mol:	-36.14
Dipole, Da:	4.18
IP(EA), eV:	-8.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-3-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]phenyl]methyl-trimethylazanium;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(C(=O)NC2=CC3=CC=CC=C3C=C2)NC(=O)[C@@H](CCCN)N

DOS

IR

Vibrations