Geometry & MOs

Info

ID:	370867
PubChem CID:	127341165
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-140.97
Dipole, Da:	3.3
IP(EA), eV:	-8.94(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC(CC2)NC(=O)CN3CCC4=C(C3)C=C(C=C4)O

DOS

IR

Vibrations