Geometry & MOs

Info

ID:	308092
PubChem CID:	125316915
Reduced:	N3O4H25C26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	256.096026
ΔH_f, kcal/mol:	-34.02
Dipole, Da:	7.55
IP(EA), eV:	-8.57(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[(2R)-2,3-dihydrofuran-2-yl]methylideneamino]-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C[C@@]34C=C[C@@H](O3)[C@H]([C@H]4C2=O)C(=O)NCCC5=C6C=CC=CC6=NC5

DOS

IR

Vibrations