Geometry & MOs

Info

ID:	32036
PubChem CID:	4253958
Reduced:	ON3C24H27 (1)
Stoich.:	AB3C24D27 (1)
Weight, g/mol:	549.335528
ΔH_f, kcal/mol:	39.93
Dipole, Da:	5.31
IP(EA), eV:	-8.53(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[benzyl-[(1-benzylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-tert-butyl-N-(2-methylpropyl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)N(CC2=CC=CN2CC3=CC=CC=C3)C4CC4

DOS

IR

Vibrations