Geometry & MOs

Info

ID:	276501
PubChem CID:	103823893
Reduced:	NSO3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	-97.73
Dipole, Da:	2.67
IP(EA), eV:	-9.98(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine

Drug info:

PubChemData

Smile

CCCC1(CC1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)CC

DOS

IR

Vibrations