Geometry & MOs

Info

ID:	180446
PubChem CID:	76634127
Reduced:	BrON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-7.94
Dipole, Da:	2.67
IP(EA), eV:	-9.52(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-[(2,2-diphenylacetyl)-[(4-hydroxyphenyl)methyl]amino]-2-methylpentanamide

Drug info:

PubChemData

Smile

CCC1C(CNC(=O)C1Br)C2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations