Geometry & MOs

Info

ID:	328352
PubChem CID:	126700783
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	84.54
Dipole, Da:	6.02
IP(EA), eV:	-8.09(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-cyclopropyl-2-[[2-(1,4-oxazepan-4-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]acetamide

Drug info:

PubChemData

Smile

C1CN2C3=C(C=C(C=C3OC1)NCC4CC4)N=C2/C(=C/C=N)/C=N

DOS

IR

Vibrations