Geometry & MOs

Info

ID:	192666
PubChem CID:	78298371
Reduced:	O3N5C26H37 (1)
Stoich.:	A3B5C26D37 (1)
Weight, g/mol:	516.306018
ΔH_f, kcal/mol:	-70.56
Dipole, Da:	3.59
IP(EA), eV:	-8.42(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadecan-13-yl)ethoxy]-3-methylbenzoyl]hydrazinyl]acetic acid

Drug info:

PubChemData

Smile

CCN1C2C(CCCN2)N(C(=O)C3C1NCC(C3)CCOC4=C(C=C(C=C4)C5=COC=N5)C)C

DOS

IR

Vibrations