Geometry & MOs

Info

ID:	174476
PubChem CID:	75768592
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	376.153541
ΔH_f, kcal/mol:	-59.07
Dipole, Da:	1.95
IP(EA), eV:	-8.82(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpyrazol-3-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)NC(=O)C2(C(=O)NC3=C(O2)C=CC(=C3)C)C

DOS

IR

Vibrations