Geometry & MOs

Info

ID:	137312
PubChem CID:	52189389
Reduced:	BrN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	332.11207
ΔH_f, kcal/mol:	-114.84
Dipole, Da:	3.82
IP(EA), eV:	-8.76(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-[(2-methyl-3-nitrophenyl)carbamoylamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)N2CCN(CC2)C(=O)[C@H]3CCCO3)Br

DOS

IR

Vibrations