Geometry & MOs

Info

ID:	143045
PubChem CID:	53138233
Reduced:	O3N4H16C17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	422.15902
ΔH_f, kcal/mol:	-9.66
Dipole, Da:	2.66
IP(EA), eV:	-8.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-3-(3-oxo-4-propyl-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2C=CC=C2C(=O)NC3=CC=CC(=C3)C(=O)C

DOS

IR

Vibrations