Geometry & MOs

Info

ID:	367298
PubChem CID:	127324077
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-66.59
Dipole, Da:	6.92
IP(EA), eV:	-8.69(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C(CC(=O)N1)C2=CC=CC=C2)C(=O)NC3CC4=CC=CC=C4OC3

DOS

IR

Vibrations