Geometry & MOs

Info

ID:	248546
PubChem CID:	103082494
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	326.256943
ΔH_f, kcal/mol:	-37.07
Dipole, Da:	4.07
IP(EA), eV:	-9.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(4-hydroxycyclohexyl)amino]cycloheptyl]carbamate

Drug info:

PubChemData

Smile

COC1CCC(C1)NC(=O)C2=CC3=C(C=C2)C=NN3

DOS

IR

Vibrations