Geometry & MOs

Info

ID:	197971
PubChem CID:	79024096
Reduced:	O2F3N3C9H16 (1)
Stoich.:	A2B3C3D9E16 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-263.91
Dipole, Da:	4.11
IP(EA), eV:	-9.73(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[1-(4-cyanophenyl)ethyl]butanamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)N(C)CC(=O)NCC(F)(F)F)N

DOS

IR

Vibrations