Geometry & MOs

Info

ID:	291196
PubChem CID:	111978138
Reduced:	BrN4C20H25 (1)
Stoich.:	AB4C20D25 (1)
Weight, g/mol:	372.231397
ΔH_f, kcal/mol:	67.41
Dipole, Da:	2.68
IP(EA), eV:	-7.97(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(naphthalen-1-ylmethyl)-3-(1-phenylpiperidin-4-yl)guanidine

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=C(C=C1)Br)NC2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations