Geometry & MOs

Info

ID:	434012
PubChem CID:	135174165
Reduced:	BrN2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	386.212491
ΔH_f, kcal/mol:	87.62
Dipole, Da:	2.0
IP(EA), eV:	-8.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(4-butylphenyl)methoxy]-5-chlorophenyl]methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C#CC2=CC=CC(=C2)CNCC3CCNC3)Br

DOS

IR

Vibrations