Geometry & MOs

Info

ID:	13871
PubChem CID:	399482
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-127.43
Dipole, Da:	4.93
IP(EA), eV:	-8.66(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;1-(7,8,9,10-tetrahydrophenanthridin-6-yl)piperidin-4-amine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=CC=CC=C3N=C2N4CCC(CC4)N.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations