Geometry & MOs

Info

ID:	193863
PubChem CID:	78448756
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	-114.38
Dipole, Da:	6.98
IP(EA), eV:	-8.16(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-(4-phenoxyanilino)-2-(pyridin-2-ylmethylazaniumyl)butanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CN=CC=C2

DOS

IR

Vibrations