Geometry & MOs

Info

ID:	393156
PubChem CID:	135019595
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	240.147393
ΔH_f, kcal/mol:	-16.17
Dipole, Da:	4.45
IP(EA), eV:	-8.39(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S)-1-cyano-4-methyl-2-oxopentan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C=CC(=C2)C)NC(=O)N(C)C

DOS

IR

Vibrations