Geometry & MOs

Info

ID:	421077
PubChem CID:	135115356
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-25.59
Dipole, Da:	6.05
IP(EA), eV:	-9.23(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[4-[(2-pyrazol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)CN2CCC(C2)(C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations