Geometry & MOs

Info

ID:	337658
PubChem CID:	127258281
Reduced:	N3O4C20H31 (1)
Stoich.:	A3B4C20D31 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-96.47
Dipole, Da:	2.52
IP(EA), eV:	-7.93(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(CCN(C)C)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations