Geometry & MOs

Info

ID:	346751
PubChem CID:	127271255
Reduced:	N3O4C15H27 (1)
Stoich.:	A3B4C15D27 (1)
Weight, g/mol:	367.166269
ΔH_f, kcal/mol:	-198.37
Dipole, Da:	2.54
IP(EA), eV:	-9.44(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-3-(1,4-dioxan-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NC(=O)NCC2COCCO2

DOS

IR

Vibrations