Geometry & MOs

Info

ID:	345355
PubChem CID:	127269655
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	357.166411
ΔH_f, kcal/mol:	-58.34
Dipole, Da:	2.2
IP(EA), eV:	-8.27(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-6-yl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2CCCN2C(=O)NC3=CC4=C(C=C3)OCCC4

DOS

IR

Vibrations