Geometry & MOs

Info

ID:	134256
PubChem CID:	51670012
Reduced:	BrNOC18H23 (1)
Stoich.:	ABCD18E23 (1)
Weight, g/mol:	368.179659
ΔH_f, kcal/mol:	2.73
Dipole, Da:	7.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.059389
Charge, e:	1

Chem-info

IUPAC name:

4-(2-phenylethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=C(C=C(C=C2)Br)C[NH2+]C(C)C

DOS

IR

Vibrations