Geometry & MOs

Info

ID:	415150
PubChem CID:	135088141
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-31.34
Dipole, Da:	5.19
IP(EA), eV:	-8.67(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxy-2-methylphenyl)-[4-(5-methyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CO3

DOS

IR

Vibrations