Geometry & MOs

Info

ID:	282598
PubChem CID:	103932354
Reduced:	IN2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	57.88
Dipole, Da:	2.99
IP(EA), eV:	-8.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)NC(C)C2=CC=C(C=C2)I

DOS

IR

Vibrations