Geometry & MOs

Info

ID:	421628
PubChem CID:	135116319
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	355.207133
ΔH_f, kcal/mol:	-155.5
Dipole, Da:	5.31
IP(EA), eV:	-9.88(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4,4-difluorocyclohexyl)methyl]-1,4-diazepan-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=O)N1)CC(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations