Geometry & MOs

Info

ID:	347498
PubChem CID:	127272353
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	399.171355
ΔH_f, kcal/mol:	-100.67
Dipole, Da:	2.77
IP(EA), eV:	-9.5(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3)C

DOS

IR

Vibrations