Geometry & MOs

Info

ID:	214159
PubChem CID:	81087111
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	188.116092
ΔH_f, kcal/mol:	-2.15
Dipole, Da:	3.63
IP(EA), eV:	-9.6(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-3-methylbutanoyl)-methylamino]acetic acid

Drug info:

PubChemData

Smile

CC(CC(=O)N(CC#N)CC1=CC=CC=C1)CN

DOS

IR

Vibrations