Geometry & MOs

Info

ID:	238716
PubChem CID:	92765148
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-84.68
Dipole, Da:	3.07
IP(EA), eV:	-8.26(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)[C@H]3CC4=C(C=CC(=C4)OC)OC3

DOS

IR

Vibrations