Geometry & MOs

Info

ID:	131554
PubChem CID:	51226587
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	308.04986
ΔH_f, kcal/mol:	3.61
Dipole, Da:	3.23
IP(EA), eV:	-8.61(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chlorothiadiazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=CC2=O)CN(CC3=CC=C(C=C3)OC)C4CC4

DOS

IR

Vibrations