Geometry & MOs

Info

ID:	367325
PubChem CID:	127324146
Reduced:	ClO2N5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	335.140055
ΔH_f, kcal/mol:	-43.71
Dipole, Da:	2.27
IP(EA), eV:	-9.13(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(1-cyclopropylpyrrolidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC3CCOC4=C3C=CC=C4Cl

DOS

IR

Vibrations