Geometry & MOs

Info

ID:	371084
PubChem CID:	127342319
Reduced:	O2N5C19H33 (1)
Stoich.:	A2B5C19D33 (1)
Weight, g/mol:	372.196154
ΔH_f, kcal/mol:	-62.65
Dipole, Da:	4.29
IP(EA), eV:	-9.32(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)C(=O)NC3CCCC3CCC(C)C

DOS

IR

Vibrations