Geometry & MOs

Info

ID:	206580
PubChem CID:	80268925
Reduced:	ON2C18H30 (1)
Stoich.:	AB2C18D30 (1)
Weight, g/mol:	294.132805
ΔH_f, kcal/mol:	-74.83
Dipole, Da:	2.79
IP(EA), eV:	-8.33(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[[methyl-[(6-methylpyridin-2-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCN(C(C)CC)C(=O)C1=C(C=C(C=C1)C)NCC

DOS

IR

Vibrations