Geometry & MOs

Info

ID:	269995
PubChem CID:	103621823
Reduced:	ClNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-76.84
Dipole, Da:	2.55
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclopropylmethyl)piperazin-1-yl]-(2,4-dihydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CC(CC1=CC=CC=C1OC)NC(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations