Geometry & MOs

Info

ID:	40552
PubChem CID:	8144316
Reduced:	N2O3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	376.178693
ΔH_f, kcal/mol:	-65.08
Dipole, Da:	8.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.075756
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-(2-methylphenyl)-4-(morpholin-4-ylmethyl)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)C[NH+]4CCOCC4

DOS

IR

Vibrations