Geometry & MOs

Info

ID:	360226
PubChem CID:	127300869
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	-46.0
Dipole, Da:	8.29
IP(EA), eV:	-8.74(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylquinolin-3-yl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCCN(CC3)CC4=CN(N=C4)C

DOS

IR

Vibrations