Geometry & MOs

Info

ID:	140276
PubChem CID:	52673480
Reduced:	O4N5C24H29 (1)
Stoich.:	A4B5C24D29 (1)
Weight, g/mol:	382.175339
ΔH_f, kcal/mol:	-67.55
Dipole, Da:	3.08
IP(EA), eV:	-8.94(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoyl]-4-propyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations