Geometry & MOs

Info

ID:	335945
PubChem CID:	127254952
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	-126.11
Dipole, Da:	5.1
IP(EA), eV:	-9.48(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,1-dioxothiolan-3-yl)methyl]-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCC(=O)N3CCNC(=O)C3

DOS

IR

Vibrations