Geometry & MOs

Info

ID:	247569
PubChem CID:	103072265
Reduced:	N3C14H19 (1)
Stoich.:	A3B14C19 (1)
Weight, g/mol:	255.150225
ΔH_f, kcal/mol:	61.78
Dipole, Da:	2.67
IP(EA), eV:	-8.65(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C2=CC=CC=C2C=N1

DOS

IR

Vibrations