Geometry & MOs

Info

ID:	250018
PubChem CID:	103093586
Reduced:	NC15H23 (1)
Stoich.:	AB15C23 (1)
Weight, g/mol:	295.09356
ΔH_f, kcal/mol:	1.07
Dipole, Da:	0.97
IP(EA), eV:	-8.92(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=CC=CC(=C1)C)/C

DOS

IR

Vibrations