Geometry & MOs

Info

ID:	353642
PubChem CID:	127285219
Reduced:	OSN4C21H28 (1)
Stoich.:	ABC4D21E28 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-8.77
Dipole, Da:	3.06
IP(EA), eV:	-8.4(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(1-cyclopropylpiperidin-4-yl)amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC2=C3C4=C(CCCC4)SC3=NC(=N2)C5CC5

DOS

IR

Vibrations