Geometry & MOs

Info

ID:	178161
PubChem CID:	76287305
Reduced:	N3O4C29H29 (1)
Stoich.:	A3B4C29D29 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-68.18
Dipole, Da:	9.36
IP(EA), eV:	-8.6(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(azetidin-3-ylamino)-8-cyclopropyl-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)N2CCCC3=C2C=CC(=C3)OC4=C5C=C(C(=CC5=NC=C4)OC)OC

DOS

IR

Vibrations