Geometry & MOs

Info

ID:	362782
PubChem CID:	127309330
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	347.220892
ΔH_f, kcal/mol:	-38.05
Dipole, Da:	3.11
IP(EA), eV:	-8.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCN(CC2)C(=O)NC3CCCOC4=CC=CC=C34

DOS

IR

Vibrations