Geometry & MOs

Info

ID:	368980
PubChem CID:	127331084
Reduced:	ON3C8H13 (2)
Stoich.:	AB3C8D13 (2)
Weight, g/mol:	389.267842
ΔH_f, kcal/mol:	-56.51
Dipole, Da:	1.77
IP(EA), eV:	-8.57(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-hydroxycycloheptyl)methyl]-3-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]urea

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)NC2CCN(C2=O)C3=CN(N=C3)C

DOS

IR

Vibrations