Geometry & MOs

Info

ID:	248055
PubChem CID:	103078564
Reduced:	ON2C4H8 (2)
Stoich.:	AB2C4D8 (2)
Weight, g/mol:	236.200097
ΔH_f, kcal/mol:	-44.08
Dipole, Da:	3.02
IP(EA), eV:	-8.0(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(4-propan-2-ylazepan-1-yl)pyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC(COC)O)N

DOS

IR

Vibrations