Geometry & MOs

Info

ID:	245814
PubChem CID:	103024057
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	-41.16
Dipole, Da:	4.44
IP(EA), eV:	-9.16(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-4-ethyl-1-(1-methylpyrazol-4-yl)hexan-3-one

Drug info:

PubChemData

Smile

CC12CC3CC(C1)CC(C3)(C2)C(=O)CCC4=CN(N=C4)C

DOS

IR

Vibrations