Geometry & MOs

Info

ID:	79269
PubChem CID:	49747736
Reduced:	N3O4C25H29 (1)
Stoich.:	A3B4C25D29 (1)
Weight, g/mol:	438.251858
ΔH_f, kcal/mol:	-123.79
Dipole, Da:	1.45
IP(EA), eV:	-8.77(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)N4CCOCC4

DOS

IR

Vibrations