Geometry & MOs

Info

ID:	71508
PubChem CID:	48414975
Reduced:	ClN2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	372.195011
ΔH_f, kcal/mol:	6.33
Dipole, Da:	2.89
IP(EA), eV:	-8.82(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC=C2Cl)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations