Geometry & MOs

Info

ID:	354235
PubChem CID:	127286199
Reduced:	ClN3O3C19H26 (1)
Stoich.:	AB3C3D19E26 (1)
Weight, g/mol:	338.231791
ΔH_f, kcal/mol:	-113.17
Dipole, Da:	4.29
IP(EA), eV:	-8.75(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxoazepan-3-yl)-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NCC3=CC4=C(C(=C3)Cl)OCCCO4

DOS

IR

Vibrations