Geometry & MOs

Info

ID:	423980
PubChem CID:	135120928
Reduced:	ON6C28H32 (1)
Stoich.:	AB6C28D32 (1)
Weight, g/mol:	479.243359
ΔH_f, kcal/mol:	33.26
Dipole, Da:	4.69
IP(EA), eV:	-8.35(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-aminoisoquinolin-6-yl)methyl]-3,5-dimethyl-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=C1CC2=CN=C(C=C2)N3CCCC3)C)C(=O)NCC4=CC5=C(C=C4)C(=NC=C5)N

DOS

IR

Vibrations