Geometry & MOs

Info

ID:	305630
PubChem CID:	124963140
Reduced:	O3N5C15H17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	335.144533
ΔH_f, kcal/mol:	-55.96
Dipole, Da:	7.85
IP(EA), eV:	-9.68(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(6S)-4-[(3,5-difluorophenyl)methyl]-1,4-oxazepan-6-yl]methyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC=NC=C1C(=O)N2CCOC[C@H]2C3=CC(=O)N=C(N3)C

DOS

IR

Vibrations