Geometry & MOs

Info

ID:	275234
PubChem CID:	103814735
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	3.05
Dipole, Da:	4.03
IP(EA), eV:	-8.84(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]pentanamide

Drug info:

PubChemData

Smile

CN1C=CC(=C1)CNC(=O)C2C3=CC=CC=C3CCN2

DOS

IR

Vibrations