Geometry & MOs

Info

ID:	181677
PubChem CID:	76773912
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	391.283492
ΔH_f, kcal/mol:	-2.93
Dipole, Da:	4.13
IP(EA), eV:	-8.94(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-10-(7-hydroxy-6-oxoheptyl)-2,4,10-triazatricyclo[9.4.0.03,8]pentadecan-9-one

Drug info:

PubChemData

Smile

CC(C)(C)N1CC2CC1CN2C3=NC=C(C=N3)C(=O)NC

DOS

IR

Vibrations