Geometry & MOs

Info

ID:	299466
PubChem CID:	117683104
Reduced:	ON2C15H24 (1)
Stoich.:	AB2C15D24 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	-39.1
Dipole, Da:	1.46
IP(EA), eV:	-8.8(0.06)
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-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CN=C1)OC2CCN(CC2)C

DOS

IR

Vibrations