Geometry & MOs

Info

ID:	370317
PubChem CID:	127338017
Reduced:	O2N7C19H27 (1)
Stoich.:	A2B7C19D27 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-3.58
Dipole, Da:	6.29
IP(EA), eV:	-8.63(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)N3CCOC(C3)CN4C=CC=N4

DOS

IR

Vibrations