Geometry & MOs

Info

ID:	369441
PubChem CID:	127333387
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	389.267842
ΔH_f, kcal/mol:	-180.54
Dipole, Da:	5.41
IP(EA), eV:	-8.51(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[(1-hydroxycycloheptyl)methyl]urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)NCC2(CCCCCC2)O)N3CCCCC3=O

DOS

IR

Vibrations