Geometry & MOs

Info

ID:	369217
PubChem CID:	127331529
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-103.1
Dipole, Da:	6.47
IP(EA), eV:	-9.39(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-3-methyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)CN2C(=O)C3=CC=CC=C3C=N2

DOS

IR

Vibrations