Geometry & MOs

Info

ID:	358398
PubChem CID:	127295943
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-102.51
Dipole, Da:	7.84
IP(EA), eV:	-8.56(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(oxan-3-ylmethyl)-3-[3-(pyrrolidine-1-carbonyl)phenyl]urea

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NC2=CC=CC(=C2)NC(=O)C3CC3

DOS

IR

Vibrations