Geometry & MOs

Info

ID:	369310
PubChem CID:	127332311
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	360.252526
ΔH_f, kcal/mol:	-162.5
Dipole, Da:	4.42
IP(EA), eV:	-8.82(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-tert-butyloxan-3-yl)methyl]-3-(2-pyrrolidin-1-ylpyridin-3-yl)urea

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)NCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations