Geometry & MOs

Info

ID:	250045
PubChem CID:	103093776
Reduced:	BrN2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	289.240565
ΔH_f, kcal/mol:	41.67
Dipole, Da:	2.25
IP(EA), eV:	-8.8(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-methyl-4-(4-pentoxyphenyl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=C2C(=C(C=C1)Br)C=CC=N2)/C

DOS

IR

Vibrations