Geometry & MOs

Info

ID:	226493
PubChem CID:	87457562
Reduced:	N2O2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-1.61
Dipole, Da:	5.05
IP(EA), eV:	-8.67(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3-hydroxypropyl)-N-methoxy-N,8-dimethyl-3-phenyl-3a,4-dihydropyrazolo[5,1-c][1,4]benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)O)C2=CC=C(C=C2)CC(=O)C#N)N

DOS

IR

Vibrations