Geometry & MOs

Info

ID:	368327
PubChem CID:	127327920
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	326.210661
ΔH_f, kcal/mol:	-59.22
Dipole, Da:	5.45
IP(EA), eV:	-9.57(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylazepan-1-yl)-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCN(CC1)C(=O)C2=CC=C(C=C2)C3=NC(=O)ON3

DOS

IR

Vibrations