Geometry & MOs

Info

ID:	360227
PubChem CID:	127300870
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	32.39
Dipole, Da:	5.93
IP(EA), eV:	-8.89(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCCN(CC3)CC4=CN(N=C4)C

DOS

IR

Vibrations