Geometry & MOs

Info

ID:	20523
PubChem CID:	584440
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	3.75
Dipole, Da:	3.52
IP(EA), eV:	-8.72(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N'-(1,3-benzoxazol-2-yl)carbamimidoyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CC1C(=O)NC(=NC2=NC3=CC=CC=C3O2)N

DOS

IR

Vibrations