Geometry & MOs

Info

ID:	364609
PubChem CID:	127315861
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-64.86
Dipole, Da:	4.49
IP(EA), eV:	-9.02(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclohexylpyrrolidin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CCOC3C2CCCC3)C

DOS

IR

Vibrations