Geometry & MOs

Info

ID:	126351
PubChem CID:	50961407
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-84.37
Dipole, Da:	8.05
IP(EA), eV:	-8.79(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,4-diamino-N-[(2-methylphenyl)methyl]-N-prop-2-enylbutanamide

Drug info:

PubChemData

Smile

C1CN(C(=O)OC1)CCN2C=NC(=C2C3=CC=C(O3)CO)C4=CC=CC=C4

DOS

IR

Vibrations