Geometry & MOs

Info

ID:	245784
PubChem CID:	103023924
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-45.52
Dipole, Da:	1.67
IP(EA), eV:	-9.47(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-aminocyclobutyl)-4-(2-methylpyrazol-3-yl)butan-2-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)COCCN

DOS

IR

Vibrations