Geometry & MOs

Info

ID:	350251
PubChem CID:	127277329
Reduced:	O2F3N4C18H23 (1)
Stoich.:	A2B3C4D18E23 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-212.6
Dipole, Da:	4.2
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylcyclopropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC1NC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations