Geometry & MOs

Info

ID:	320203
PubChem CID:	126658690
Reduced:	NO3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	478.280472
ΔH_f, kcal/mol:	-118.32
Dipole, Da:	1.65
IP(EA), eV:	-8.21(0.34)
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]-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCO[C@@H]2CCCC[C@@H]2N3CCCC3)OC

DOS

IR

Vibrations