Geometry & MOs

Info

ID:	361275
PubChem CID:	127302456
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-53.09
Dipole, Da:	1.18
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-(1-morpholin-4-ylethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)CC1=NC2=C(O1)C=CC(=C2)NC(=O)NC3CCN(CC3)C4CC4

DOS

IR

Vibrations