Geometry & MOs

Info

ID:	376628
PubChem CID:	134222649
Reduced:	N3H35C54 (1)
Stoich.:	A3B35C54 (1)
Weight, g/mol:	243.147058
ΔH_f, kcal/mol:	270.58
Dipole, Da:	7.38
IP(EA), eV:	-8.42(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-ethoxy-2-oxoethyl)cyclohexyl]-methylcarbamic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC(=C3)C4=CC5=C(C6=CC=CC=C6C(=C5C=C4)C7=CC8=CC=CC=C8C=C7)C9=CC1=CC=CC=C1C=C9)C1=CC=CC=C1

DOS

IR

Vibrations