Geometry & MOs

Info

ID:	353108
PubChem CID:	127284288
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	312.12224
ΔH_f, kcal/mol:	-88.27
Dipole, Da:	4.47
IP(EA), eV:	-9.41(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-8-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)(C)C)C(=O)C2=CC3=C(O2)C=CC(=N3)C

DOS

IR

Vibrations