Geometry & MOs

Info

ID:	287698
PubChem CID:	104252209
Reduced:	NOC18H29 (1)
Stoich.:	ABC18D29 (1)
Weight, g/mol:	265.215413
ΔH_f, kcal/mol:	-65.73
Dipole, Da:	3.04
IP(EA), eV:	-8.75(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CC(CC2CCCCO2)NCC

DOS

IR

Vibrations