Geometry & MOs

Info

ID:	137955
PubChem CID:	52291043
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	371.244701
ΔH_f, kcal/mol:	-8.42
Dipole, Da:	4.77
IP(EA), eV:	-8.64(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[cyclohexylmethyl-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC(=C2)NC(=O)NC[C@H](C3=CC=CC=C3OC)N(C)C)C

DOS

IR

Vibrations