Geometry & MOs

Info

ID:	258499
PubChem CID:	103154537
Reduced:	O2N3C15H25 (1)
Stoich.:	A2B3C15D25 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-80.91
Dipole, Da:	4.02
IP(EA), eV:	-7.79(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-amino-3-methoxybutanoyl)amino]-4-methylbenzoate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)NC(=O)CC(CN)OC

DOS

IR

Vibrations