Geometry & MOs

Info

ID:	308327
PubChem CID:	125326173
Reduced:	O4N5H19C21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	378.191657
ΔH_f, kcal/mol:	-93.11
Dipole, Da:	4.57
IP(EA), eV:	-9.07(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-5-[(3S)-2,3,5-trimethyl-1,3-dihydropyrazol-4-yl]-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C[C@H](C2=C1C(=O)N(C(=O)N2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations