Geometry & MOs

Info

ID:	249991
PubChem CID:	103093364
Reduced:	NC11H21 (1)
Stoich.:	AB11C21 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	-8.43
Dipole, Da:	1.14
IP(EA), eV:	-8.8(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-ethyl-3-methyl-4-(2-phenyltriazol-4-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)C(=CC1CCC1)C

DOS

IR

Vibrations