Geometry & MOs

Info

ID:	444625
PubChem CID:	135263040
Reduced:	N2O3C28H30 (1)
Stoich.:	A2B3C28D30 (1)
Weight, g/mol:	483.252192
ΔH_f, kcal/mol:	-47.01
Dipole, Da:	2.57
IP(EA), eV:	-8.53(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)-N-[phenyl-(2-piperidin-1-ylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)C3(CC3)C4=CC5=C(C=C4)N(C=C5)CCO)C

DOS

IR

Vibrations