Geometry & MOs

Info

ID:	297198
PubChem CID:	117612744
Reduced:	SO4N7C23H27 (1)
Stoich.:	AB4C7D23E27 (1)
Weight, g/mol:	473.206304
ΔH_f, kcal/mol:	-39.71
Dipole, Da:	3.32
IP(EA), eV:	-9.3(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-[(4-methoxyphenyl)methyl]-4-(oxan-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]pyridin-4-yl]methyl formate

Drug info:

PubChemData

Smile

C1CNCCC1(CC#N)N2C3=CC=NC(=O)C3=C(N2)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

DOS

IR

Vibrations