Geometry & MOs

Info

ID:	364420
PubChem CID:	127315659
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-29.27
Dipole, Da:	5.3
IP(EA), eV:	-9.04(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC(=NN2C)C(C)(C)C)C

DOS

IR

Vibrations