Geometry & MOs

Info

ID:	61982
PubChem CID:	26716513
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-145.13
Dipole, Da:	2.26
IP(EA), eV:	-8.4(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NC(=O)CC2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations