Geometry & MOs

Info

ID:	369448
PubChem CID:	127333410
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-114.64
Dipole, Da:	6.92
IP(EA), eV:	-8.12(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)N3CC[C@@H](C3)O)OC1

DOS

IR

Vibrations