Geometry & MOs

Info

ID:	126099
PubChem CID:	50951537
Reduced:	N5C19H21 (1)
Stoich.:	A5B19C21 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	91.65
Dipole, Da:	2.61
IP(EA), eV:	-8.88(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-cyano-N-(3-hydroxy-2-methylpropyl)benzamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)CC4=CN=CN=C4

DOS

IR

Vibrations