Geometry & MOs

Info

ID:	363459
PubChem CID:	127311262
Reduced:	O3N6C15H22 (1)
Stoich.:	A3B6C15D22 (1)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	-101.79
Dipole, Da:	7.28
IP(EA), eV:	-9.99(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-1-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1CNC(=O)CN2C(=O)C3(CCCC3)NC2=O

DOS

IR

Vibrations