Geometry & MOs

Info

ID:	280919
PubChem CID:	103851945
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-40.65
Dipole, Da:	4.27
IP(EA), eV:	-9.54(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[(2-cyanophenyl)methylamino]-2-methylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)NCC2=CC=CC=C2C#N

DOS

IR

Vibrations