Geometry & MOs

Info

ID:	192665
PubChem CID:	78298370
Reduced:	ON3C13H19 (2)
Stoich.:	AB3C13D19 (2)
Weight, g/mol:	467.28964
ΔH_f, kcal/mol:	-24.18
Dipole, Da:	9.33
IP(EA), eV:	-8.54(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-9-methyl-13-[2-[2-methyl-4-(1,3-oxazol-4-yl)phenoxy]ethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadecan-10-one

Drug info:

PubChemData

Smile

CCN1C2C(CCCN2)N(C(=O)C3C1NCC(C3)CCOC4=C(C=C(C=C4)N5C=CN=C5)C)C

DOS

IR

Vibrations