Geometry & MOs

Info

ID:	82642
PubChem CID:	49856277
Reduced:	N2O3C21H32 (1)
Stoich.:	A2B3C21D32 (1)
Weight, g/mol:	413.267842
ΔH_f, kcal/mol:	-115.81
Dipole, Da:	4.08
IP(EA), eV:	-8.7(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1(CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCOCC3)C

DOS

IR

Vibrations