Geometry & MOs

Info

ID:	290625
PubChem CID:	109776114
Reduced:	BrO2N3C18H30 (1)
Stoich.:	AB2C3D18E30 (1)
Weight, g/mol:	375.252192
ΔH_f, kcal/mol:	-55.61
Dipole, Da:	3.71
IP(EA), eV:	-8.87(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]guanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1(CCCC1)CCOC)NCCC2=CC=C(O2)Br

DOS

IR

Vibrations