Geometry & MOs

Info

ID:	354498
PubChem CID:	127287047
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-123.82
Dipole, Da:	2.35
IP(EA), eV:	-8.72(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2OC1)NC(=O)N3CCC(CC3)CCN4CCOCC4

DOS

IR

Vibrations