Geometry & MOs

Info

ID:	319752
PubChem CID:	126657181
Reduced:	N2O3C25H26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	524.278741
ΔH_f, kcal/mol:	-38.51
Dipole, Da:	1.81
IP(EA), eV:	-8.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[3-(aminomethyl)phenyl]methylcarbamoyl]-2-(3,5-dimethylmorpholin-4-yl)phenyl]-4a,8a-dihydronaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

COC(C1=C(C=NC=C1)NC[C@@H]2CCOC3=C2C=CC(=C3)C(=C)C4=CC=CC=C4)O

DOS

IR

Vibrations