Geometry & MOs

Info

ID:	346428
PubChem CID:	127270932
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-27.42
Dipole, Da:	5.08
IP(EA), eV:	-8.88(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-5-methyl-1H-indazole-7-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=CC4=C3NN=C4)C

DOS

IR

Vibrations