Geometry & MOs

Info

ID:	171756
PubChem CID:	75423298
Reduced:	N3O3C18H29 (1)
Stoich.:	A3B3C18D29 (1)
Weight, g/mol:	264.114174
ΔH_f, kcal/mol:	-111.37
Dipole, Da:	5.08
IP(EA), eV:	-8.95(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloropyridin-3-yl)methyl]-1-methyl-N-propan-2-ylpyrazol-4-amine

Drug info:

PubChemData

Smile

CC1=CN=C(O1)CN(C2CC2)C3CCN(CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations