Geometry & MOs

Info

ID:	205525
PubChem CID:	80116897
Reduced:	OSN2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	216.147393
ΔH_f, kcal/mol:	-47.66
Dipole, Da:	5.97
IP(EA), eV:	-8.18(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(aminomethyl)-4-methylpentanoyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)CC(CN)C(=O)NC1=CC=C(C=C1)SC

DOS

IR

Vibrations