Geometry & MOs

Info

ID:	347142
PubChem CID:	127271646
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	365.196408
ΔH_f, kcal/mol:	-34.32
Dipole, Da:	8.1
IP(EA), eV:	-8.19(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NC3=CC=C(C=C3)N4CCNC4=O

DOS

IR

Vibrations