Geometry & MOs

Info

ID:	244458
PubChem CID:	99355604
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	386.04415
ΔH_f, kcal/mol:	-31.46
Dipole, Da:	4.43
IP(EA), eV:	-8.43(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CC2=CN3C=CC=C(C3=N2)C

DOS

IR

Vibrations