Geometry & MOs

Info

ID:	435613
PubChem CID:	135191950
Reduced:	O5C15H18 (1)
Stoich.:	A5B15C18 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-208.12
Dipole, Da:	2.1
IP(EA), eV:	-9.69(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-butan-2-yl-5-(1H-pyrazol-4-yl)phenyl]-N-methylformamide

Drug info:

PubChemData

Smile

COC(=O)C1C[C@H](C[C@H]1C(=O)OCC2=CC=CC=C2)O

DOS

IR

Vibrations