Geometry & MOs

Info

ID:	255479
PubChem CID:	103132370
Reduced:	NO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	179.142248
ΔH_f, kcal/mol:	-100.34
Dipole, Da:	2.71
IP(EA), eV:	-9.01(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-methyl-4-(1-methylpyrazol-3-yl)pent-3-en-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)C/C=C/CCNCCOC

DOS

IR

Vibrations