Geometry & MOs

Info

ID:	299467
PubChem CID:	117683124
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	14.38
Dipole, Da:	1.16
IP(EA), eV:	-8.79(-1.27)
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-(oxolan-3-ylamino)benzamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)CC(CNC(=O)C3=CC=C(C=C3)N4C=NC=N4)O

DOS

IR

Vibrations