Geometry & MOs

Info

ID:	369183
PubChem CID:	127331485
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	361.272927
ΔH_f, kcal/mol:	-65.84
Dipole, Da:	3.82
IP(EA), eV:	-9.49(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2=CN=CC3=CC=CC=C32

DOS

IR

Vibrations