Geometry & MOs

Info

ID:	158832
PubChem CID:	56479513
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	-77.27
Dipole, Da:	7.5
IP(EA), eV:	-9.19(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=NOC(=C2)C(C)(C)C)C

DOS

IR

Vibrations