Geometry & MOs

Info

ID:	280900
PubChem CID:	103851822
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	289.134575
ΔH_f, kcal/mol:	-47.34
Dipole, Da:	2.19
IP(EA), eV:	-9.06(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclobutan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(C1CC1)NCC2=CC=CC=C2C#N

DOS

IR

Vibrations