Geometry & MOs

Info

ID:	379915
PubChem CID:	134964212
Reduced:	N3O4C10H15 (1)
Stoich.:	A3B4C10D15 (1)
Weight, g/mol:	242.153147
ΔH_f, kcal/mol:	-96.44
Dipole, Da:	4.22
IP(EA), eV:	-9.97(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-1-[2-(1H-pyrrol-3-yl)ethyl]guanidine

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@@H](CC=C[C@@H]1OCOC)N=[N+]=[N-]

DOS

IR

Vibrations