Geometry & MOs

Info

ID:	343899
PubChem CID:	127267075
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	310.190595
ΔH_f, kcal/mol:	-42.07
Dipole, Da:	2.88
IP(EA), eV:	-7.94(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(2-methylphenyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-3-amine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCC(CC2)NCC3=CC=C(C=C3)CO

DOS

IR

Vibrations