Geometry & MOs

Info

ID:	188792
PubChem CID:	77767190
Reduced:	N2O11C44H48 (1)
Stoich.:	A2B11C44D48 (1)
Weight, g/mol:	348.231397
ΔH_f, kcal/mol:	-426.71
Dipole, Da:	2.71
IP(EA), eV:	-9.41(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclohexylethyl)-6-ethenyl-1-ethylpyrazolo[3,4-b]quinolin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)COC(=O)C2=C(C=C(C=C2C)C)C)C.CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations