Geometry & MOs

Info

ID:	320222
PubChem CID:	126658796
Reduced:	NOC10H17 (1)
Stoich.:	ABC10D17 (1)
Weight, g/mol:	498.249172
ΔH_f, kcal/mol:	-52.23
Dipole, Da:	2.75
IP(EA), eV:	-8.97(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[6-[2-(cyclopropylmethylamino)pyridin-4-yl]pyridin-2-yl]-hydroxymethyl]amino]-1-methyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2(N1CC(=C)C2)CO

DOS

IR

Vibrations