Geometry & MOs

Info

ID:	158075
PubChem CID:	56462778
Reduced:	O4N5H23C26 (1)
Stoich.:	A4B5C23D26 (1)
Weight, g/mol:	483.22887
ΔH_f, kcal/mol:	-15.83
Dipole, Da:	6.61
IP(EA), eV:	-9.0(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(C1)C(=O)NC2=C(C=C(C=C2)OC3=C(C=CC=N3)C#N)C)C4=CC=CC=C4

DOS

IR

Vibrations