Geometry & MOs

Info

ID:	286092
PubChem CID:	104152392
Reduced:	N3C18H31 (1)
Stoich.:	A3B18C31 (1)
Weight, g/mol:	339.04048
ΔH_f, kcal/mol:	-12.21
Dipole, Da:	1.72
IP(EA), eV:	-8.49(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-6-ethyl-N-methylpyridin-2-amine

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)CNCC)N(C)C2CCCC(C2)C

DOS

IR

Vibrations