Geometry & MOs

Info

ID:	351594
PubChem CID:	127280486
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	391.166269
ΔH_f, kcal/mol:	-107.91
Dipole, Da:	10.39
IP(EA), eV:	-9.37(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=C1CCC(=O)N2CCN(CC2)C(=O)CN3CCCC3)C)C#N

DOS

IR

Vibrations