Geometry & MOs

Info

ID:	52442
PubChem CID:	12015305
Reduced:	NO2C26H28 (2)
Stoich.:	AB2C26D28 (2)
Weight, g/mol:	220.193949
ΔH_f, kcal/mol:	-30.19
Dipole, Da:	2.27
IP(EA), eV:	-8.21(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(ethylaminomethyl)-2,4-dimethylphenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCCCOC1=CC(=C(C=C1/C=C/C2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)(C)C)OCCCC)/C=C/C5=CC=C(C=C5)C6=NC7=C(O6)C=CC(=C7)C(C)(C)C

DOS

IR

Vibrations