Geometry & MOs

Info

ID:	152322
PubChem CID:	56311229
Reduced:	ON2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	416.242356
ΔH_f, kcal/mol:	5.72
Dipole, Da:	3.87
IP(EA), eV:	-8.44(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN(CC2CC2)C(C)C3=CC=CC=C3

DOS

IR

Vibrations