Geometry & MOs

Info

ID:	425570
PubChem CID:	135126744
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	39.34
Dipole, Da:	4.76
IP(EA), eV:	-8.18(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[4-methyl-3-[(4-phenylpiperazin-1-yl)methyl]anilino]methylidene]propanedioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations