Geometry & MOs

Info

ID:	79621
PubChem CID:	49829742
Reduced:	O3N4C23H31 (1)
Stoich.:	A3B4C23D31 (1)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	-74.02
Dipole, Da:	3.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.943603
Charge, e:	0

Chem-info

IUPAC name:

N-(ethylcarbamoyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+](C)CC2=CC=CC=C2N3CCOCC3

DOS

IR

Vibrations