Geometry & MOs

Info

ID:	444591
PubChem CID:	135262926
Reduced:	N2O2C19H26 (1)
Stoich.:	A2B2C19D26 (1)
Weight, g/mol:	499.247107
ΔH_f, kcal/mol:	-45.54
Dipole, Da:	4.3
IP(EA), eV:	-8.52(0.18)
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-[(4-methyl-2-morpholin-4-ylphenyl)-phenylmethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)[C@H](C2=C(C=C(C=C2)OC)N3CCCCCC3)N

DOS

IR

Vibrations