Geometry & MOs

Info

ID:	281078
PubChem CID:	103852803
Reduced:	BrNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	199.168462
ΔH_f, kcal/mol:	-138.0
Dipole, Da:	2.39
IP(EA), eV:	-9.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-but-3-enoxyethyl)-2-propylguanidine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC(CC(C)C)C(=O)OC)Br

DOS

IR

Vibrations