Geometry & MOs

Info

ID:	256464
PubChem CID:	103139393
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	-21.95
Dipole, Da:	3.54
IP(EA), eV:	-9.17(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1(CCCC1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations