Geometry & MOs

Info

ID:	330493
PubChem CID:	127247900
Reduced:	O2N5C16H27 (1)
Stoich.:	A2B5C16D27 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	-63.07
Dipole, Da:	6.57
IP(EA), eV:	-8.63(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)C(=O)N2CCN(CC(C2)C(=O)NC)C

DOS

IR

Vibrations