Geometry & MOs

Info

ID:	272057
PubChem CID:	103722101
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	270.03678
ΔH_f, kcal/mol:	-100.65
Dipole, Da:	3.69
IP(EA), eV:	-9.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-methyl-N-[(1-methylcyclopropyl)methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations