Geometry & MOs

Info

ID:	250017
PubChem CID:	103093559
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	217.18305
ΔH_f, kcal/mol:	49.78
Dipole, Da:	6.06
IP(EA), eV:	-8.96(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-(3-methylphenyl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=CC=C(C=C1)N2C=CN=C2)/C

DOS

IR

Vibrations