Geometry & MOs

Info

ID:	231757
PubChem CID:	87574608
Reduced:	NO4C7H14 (1)
Stoich.:	AB4C7D14 (1)
Weight, g/mol:	383.126991
ΔH_f, kcal/mol:	-135.51
Dipole, Da:	17.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760328
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-formyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methylcarbamic acid

Drug info:

PubChemData

Smile

C[N+](C)(C)CCOC(=O)C(=O)O

DOS

IR

Vibrations