Geometry & MOs

Info

ID:	445782
PubChem CID:	135269492
Reduced:	O2N3C19H31 (1)
Stoich.:	A2B3C19D31 (1)
Weight, g/mol:	450.372248
ΔH_f, kcal/mol:	-54.48
Dipole, Da:	5.07
IP(EA), eV:	-8.65(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[[3-[[2,6-dimethyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]phenyl]methyl]-1-N,1-N-diethylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=C(C=C2)C(=O)NO)C)CCC(C)C

DOS

IR

Vibrations