Geometry & MOs

Info

ID:	198958
PubChem CID:	79178438
Reduced:	N5C14H15 (1)
Stoich.:	A5B14C15 (1)
Weight, g/mol:	281.164046
ΔH_f, kcal/mol:	98.21
Dipole, Da:	2.85
IP(EA), eV:	-8.48(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrazol-4-amine

Drug info:

PubChemData

Smile

CC1=NC=C(N1C2=CC=CC=C2)CNC3=CNN=C3

DOS

IR

Vibrations