Geometry & MOs

Info

ID:	161645
PubChem CID:	57392240
Reduced:	O3C25H32 (1)
Stoich.:	A3B25C32 (1)
Weight, g/mol:	304.121178
ΔH_f, kcal/mol:	-118.74
Dipole, Da:	5.08
IP(EA), eV:	-9.31(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxypropylamino)-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](C(C2=C(C(=O)C[C@@H]12)C)C3=CC=C(C=C3)C(C)(C)C)C(=C)C(=O)O

DOS

IR

Vibrations