Geometry & MOs

Info

ID:	235449
PubChem CID:	92709676
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	310.204513
ΔH_f, kcal/mol:	-106.34
Dipole, Da:	7.23
IP(EA), eV:	-8.46(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(azepan-1-yl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)C[C@H](C2=CC=CC=C2C)N3C=CC=C3

DOS

IR

Vibrations