Geometry & MOs

Info

ID:	405461
PubChem CID:	135074015
Reduced:	ON2C22H30 (1)
Stoich.:	AB2C22D30 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-44.45
Dipole, Da:	3.1
IP(EA), eV:	-8.67(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-2-[(4-cyanophenyl)methyl]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1C)C)CC(C)(C)C(=O)NCC2=CC=CC=N2)C)C

DOS

IR

Vibrations