Geometry & MOs

Info

ID:	425573
PubChem CID:	135126763
Reduced:	N3O5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-152.41
Dipole, Da:	7.11
IP(EA), eV:	-7.97(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[4-[(4-phenylpiperazin-1-yl)methyl]anilino]methylidene]propanedioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations