Geometry & MOs

Info

ID:	172466
PubChem CID:	75512819
Reduced:	O3N5C14H23 (1)
Stoich.:	A3B5C14D23 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-100.9
Dipole, Da:	3.55
IP(EA), eV:	-8.77(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-7-methoxy-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)NC(=O)N2CCCN(CC2)CC(=O)OC

DOS

IR

Vibrations