Geometry & MOs

Info

ID:	369769
PubChem CID:	127335245
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-36.84
Dipole, Da:	5.66
IP(EA), eV:	-8.58(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)CC3CCOC4=CC=CC=C34

DOS

IR

Vibrations