Geometry & MOs

Info

ID:	156270
PubChem CID:	56369907
Reduced:	O2N5H21C23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	434.12051
ΔH_f, kcal/mol:	49.24
Dipole, Da:	3.54
IP(EA), eV:	-8.99(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(=C2)NC(=O)C3=NN(C(=O)C=C3)C)CC4=CC=CC=C4

DOS

IR

Vibrations