Geometry & MOs

Info

ID:	247517
PubChem CID:	103072052
Reduced:	N3C16H19 (1)
Stoich.:	A3B16C19 (1)
Weight, g/mol:	179.142248
ΔH_f, kcal/mol:	91.52
Dipole, Da:	4.97
IP(EA), eV:	-9.1(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4,5-trimethylpyrazol-1-yl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

C=C(CNC1CC1)CN2C=CN=C2C3=CC=CC=C3

DOS

IR

Vibrations