Geometry & MOs

Info

ID:	196932
PubChem CID:	78898540
Reduced:	ON7C23H23 (1)
Stoich.:	AB7C23D23 (1)
Weight, g/mol:	276.169859
ΔH_f, kcal/mol:	90.67
Dipole, Da:	6.2
IP(EA), eV:	-9.03(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)C2CCCN(C2)C3=CC(=NC4=NC=NN34)C5=CC=CC=C5

DOS

IR

Vibrations