Geometry & MOs

Info

ID:	141312
PubChem CID:	52858600
Reduced:	N3O5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	334.200491
ΔH_f, kcal/mol:	-99.64
Dipole, Da:	7.21
IP(EA), eV:	-8.68(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[3-[(2S)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]propyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=NN(C(=O)C2=NO1)C[C@H](COCC3=CC=CC=C3OC)O)C

DOS

IR

Vibrations