Geometry & MOs

Info

ID:	351037
PubChem CID:	127279474
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	25.57
Dipole, Da:	4.27
IP(EA), eV:	-9.02(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2C(=O)NC3=CC=CC(=C3)CN4C=NC=N4

DOS

IR

Vibrations