Geometry & MOs

Info

ID:	197869
PubChem CID:	79007338
Reduced:	NC18H23 (1)
Stoich.:	AB18C23 (1)
Weight, g/mol:	234.209599
ΔH_f, kcal/mol:	20.3
Dipole, Da:	1.88
IP(EA), eV:	-8.28(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-dimethyl-N-(1-phenylbutan-2-yl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(CC)CC2=CC=CC=C2

DOS

IR

Vibrations