Geometry & MOs

Info

ID:	299468
PubChem CID:	117683130
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	408.252526
ΔH_f, kcal/mol:	-90.54
Dipole, Da:	5.8
IP(EA), eV:	-8.86(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(piperazin-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1COCC1NC2=CC=C(C=C2)C(=O)NCC(CN3CCC4=CC=CC=C4C3)O

DOS

IR

Vibrations