Geometry & MOs

Info

ID:	205950
PubChem CID:	80182349
Reduced:	NO5C11H17 (1)
Stoich.:	AB5C11D17 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-221.13
Dipole, Da:	7.56
IP(EA), eV:	-9.73(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyloxolan-2-yl)-(1-phenylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1(CCCO1)C(=O)N2CCOC(C2)C(=O)O

DOS

IR

Vibrations