Geometry & MOs

Info

ID:	422359
PubChem CID:	135117692
Reduced:	ON3C8H10 (2)
Stoich.:	AB3C8D10 (2)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-21.96
Dipole, Da:	9.34
IP(EA), eV:	-8.89(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CN=C(C=C1)N2CCC3=C(C2)C(=NN3C)C(=O)N

DOS

IR

Vibrations