Geometry & MOs

Info

ID:	249987
PubChem CID:	103093321
Reduced:	ClNC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	229.18305
ΔH_f, kcal/mol:	5.14
Dipole, Da:	3.71
IP(EA), eV:	-8.99(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-cyclopropylphenyl)-N-ethyl-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=CC=C(C=C1)Cl)/C

DOS

IR

Vibrations