Geometry & MOs

Info

ID:	364594
PubChem CID:	127315846
Reduced:	N2C7H13 (2)
Stoich.:	A2B7C13 (2)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	19.29
Dipole, Da:	3.82
IP(EA), eV:	-8.32(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,7-dimethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1CCN(CCN1CC2=C(N(N=C2C)C)C)C

DOS

IR

Vibrations