Geometry & MOs

Info

ID:	291385
PubChem CID:	112251402
Reduced:	FIN5C21H35 (1)
Stoich.:	ABC5D21E35 (1)
Weight, g/mol:	435.10923
ΔH_f, kcal/mol:	-1.85
Dipole, Da:	2.51
IP(EA), eV:	-8.31(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1(CC1)C2=CC=CC=C2F)NCC(C)N3CCN(CC3)C.I

DOS

IR

Vibrations