Geometry & MOs

Info

ID:	342142
PubChem CID:	127264855
Reduced:	SN2O3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	241.157898
ΔH_f, kcal/mol:	-59.86
Dipole, Da:	5.62
IP(EA), eV:	-9.05(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C=CC2=CC3=CC=CC=C3S2)CCC(=O)O

DOS

IR

Vibrations