Geometry & MOs

Info

ID:	34237
PubChem CID:	7890427
Reduced:	N3O5H17C20 (1)
Stoich.:	A3B5C17D20 (1)
Weight, g/mol:	399.103749
ΔH_f, kcal/mol:	-59.6
Dipole, Da:	5.45
IP(EA), eV:	-8.8(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

DOS

IR

Vibrations