Geometry & MOs

Info

ID:	197707
PubChem CID:	78988587
Reduced:	BrNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	193.121512
ΔH_f, kcal/mol:	-123.45
Dipole, Da:	4.61
IP(EA), eV:	-9.48(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(6-methylpyridin-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)CCOCCNC(=O)C1=C(C=C(C=C1)Br)OC

DOS

IR

Vibrations