Geometry & MOs

Info

ID:	155641
PubChem CID:	56366530
Reduced:	O3N5H19C23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	414.205576
ΔH_f, kcal/mol:	5.74
Dipole, Da:	5.91
IP(EA), eV:	-9.15(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NCC(=O)NC4=CN=CC=C4

DOS

IR

Vibrations