Geometry & MOs

Info

ID:	71166
PubChem CID:	48414387
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	415.210721
ΔH_f, kcal/mol:	-131.55
Dipole, Da:	5.57
IP(EA), eV:	-8.73(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)NC(CN2CCOCC2)C3=CC=C(C=C3)OC)OC

DOS

IR

Vibrations