Geometry & MOs

Info

ID:	337657
PubChem CID:	127258280
Reduced:	N2O8C25H30 (1)
Stoich.:	A2B8C25D30 (1)
Weight, g/mol:	377.231456
ΔH_f, kcal/mol:	-279.2
Dipole, Da:	3.04
IP(EA), eV:	-9.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;N,N-dimethyl-3-(4-methylpiperazin-1-yl)-3-phenylpropan-1-amine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC2CCN(C2)CCCOC(=O)NC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations