Geometry & MOs

Info

ID:	71562
PubChem CID:	48415046
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	25.57
Dipole, Da:	4.01
IP(EA), eV:	-8.8(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations