Geometry & MOs

Info

ID:	180965
PubChem CID:	76712456
Reduced:	NO3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	-148.78
Dipole, Da:	2.04
IP(EA), eV:	-9.38(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[[2-cyano-1-(4-methylphenyl)propan-2-yl]amino]-phenylmethyl]formamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C)(CC1=CC=C(C=C1)CO)N

DOS

IR

Vibrations