Geometry & MOs

Info

ID:	137360
PubChem CID:	52196696
Reduced:	ON3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	353.183832
ΔH_f, kcal/mol:	11.17
Dipole, Da:	3.6
IP(EA), eV:	-8.59(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[3-(1H-imidazol-3-ium-3-yl)propyl]urea

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)[C@@H](C)CNC(=O)NC2=CC=CC(=C2)C#C

DOS

IR

Vibrations