Geometry & MOs

Info

ID:	255333
PubChem CID:	103131443
Reduced:	ON3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	265.215413
ΔH_f, kcal/mol:	-39.92
Dipole, Da:	2.52
IP(EA), eV:	-8.45(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethoxy-4,4-dimethylcyclohexyl)-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CCNC(C1=NN(C=C1)C)C2(CCCC(C2)C)OCC

DOS

IR

Vibrations