Geometry & MOs

Info

ID:	305705
PubChem CID:	124966194
Reduced:	N5C15H23 (1)
Stoich.:	A5B15C23 (1)
Weight, g/mol:	322.164105
ΔH_f, kcal/mol:	61.58
Dipole, Da:	5.16
IP(EA), eV:	-8.74(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-1-(oxan-4-yl)-4-(1,2-oxazole-5-carbonyl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C[C@@H]2CCCN(C2)CC3=NN(C=C3)C

DOS

IR

Vibrations