Geometry & MOs

Info

ID:	148486
PubChem CID:	53788148
Reduced:	N2C6H13 (2)
Stoich.:	A2B6C13 (2)
Weight, g/mol:	282.070595
ΔH_f, kcal/mol:	-16.47
Dipole, Da:	2.29
IP(EA), eV:	-8.66(2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-amine

Drug info:

PubChemData

Smile

CC1NC(NC(N1)N(C)C)C2CCCCC2

DOS

IR

Vibrations