Geometry & MOs

Info

ID:	281953
PubChem CID:	103914594
Reduced:	N2C7H13 (2)
Stoich.:	A2B7C13 (2)
Weight, g/mol:	236.200097
ΔH_f, kcal/mol:	10.65
Dipole, Da:	2.33
IP(EA), eV:	-8.6(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC(C)CN1CCC(CC1)NC(C)C2=CNN=C2

DOS

IR

Vibrations