Geometry & MOs

Info

ID:	198380
PubChem CID:	79092459
Reduced:	BrN2C17H29 (1)
Stoich.:	AB2C17D29 (1)
Weight, g/mol:	388.13755
ΔH_f, kcal/mol:	-13.56
Dipole, Da:	2.86
IP(EA), eV:	-7.46(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,1-N-diethyl-4-(4-iodophenyl)-3-N-propylbutane-1,3-diamine

Drug info:

PubChemData

Smile

CCCNC(CCN(CC)CC)CC1=CC=CC=C1Br

DOS

IR

Vibrations