Geometry & MOs

Info

ID:	291359
PubChem CID:	111978733
Reduced:	BrIO2N4C20H30 (1)
Stoich.:	ABC2D4E20F30 (1)
Weight, g/mol:	379.12593
ΔH_f, kcal/mol:	-10.48
Dipole, Da:	4.16
IP(EA), eV:	-9.15(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromophenyl)methyl]-1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-ethylguanidine

Drug info:

PubChemData

Smile

CC1(C(C2C1OCC2)NC(=NCC3=CC=C(C=C3)Br)NCC(=O)N(C)C)C.I

DOS

IR

Vibrations