Geometry & MOs

Info

ID:	247513
PubChem CID:	103072003
Reduced:	SN2O2C10H20 (1)
Stoich.:	AB2C2D10E20 (1)
Weight, g/mol:	165.126598
ΔH_f, kcal/mol:	-80.95
Dipole, Da:	5.75
IP(EA), eV:	-8.73(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(4-methylpyrazol-1-yl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CN1CCCS1(=O)=O

DOS

IR

Vibrations