Geometry & MOs

Info

ID:	75209
PubChem CID:	48423176
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	-94.22
Dipole, Da:	6.2
IP(EA), eV:	-8.98(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)OC)C

DOS

IR

Vibrations