Geometry & MOs

Info

ID:	71191
PubChem CID:	48414427
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	45.86
Dipole, Da:	7.13
IP(EA), eV:	-8.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=C2)COC3=CC=C(C=C3)C(=O)N4CCN(CC4)CCC#C

DOS

IR

Vibrations