Geometry & MOs

Info

ID:	299092
PubChem CID:	117671177
Reduced:	ON3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-1.11
Dipole, Da:	3.56
IP(EA), eV:	-8.13(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[5-[4-(2-methoxyethoxy)phenyl]-2H-pyrrol-4-yl]methyl]-N'-methylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCCN(C)CC1=CN(N=C1C2=CC=C(C=C2)OC(C)C)C

DOS

IR

Vibrations