Geometry & MOs

Info

ID:	174042
PubChem CID:	75714604
Reduced:	Cl2N2O2C25H40 (1)
Stoich.:	A2B2C2D25E40 (1)
Weight, g/mol:	446.12051
ΔH_f, kcal/mol:	-152.29
Dipole, Da:	1.04
IP(EA), eV:	-9.39(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-bromophenyl)acetyl]-methylamino]-N-tert-butyl-2-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCC(CC)C(=O)N(C)C(C1=C(C=CC=C1Cl)Cl)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations