Geometry & MOs

Info

ID:	436403
PubChem CID:	135199938
Reduced:	N3C13H23 (1)
Stoich.:	A3B13C23 (1)
Weight, g/mol:	398.108899
ΔH_f, kcal/mol:	24.07
Dipole, Da:	2.62
IP(EA), eV:	-9.1(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-isoquinolin-6-yl-2-[4-(thiophene-2-carbonyl)phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C1=CN(N=C1)C2CN(C2)C(C)C

DOS

IR

Vibrations