Geometry & MOs

Info

ID:	255495
PubChem CID:	103132484
Reduced:	ON2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	209.189198
ΔH_f, kcal/mol:	-43.38
Dipole, Da:	3.67
IP(EA), eV:	-8.12(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-(1-methylpyrazol-3-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCC3=C2C=CC(=C3)C(C)NC

DOS

IR

Vibrations