Geometry & MOs

Info

ID:	330480
PubChem CID:	127247887
Reduced:	N4O4C17H24 (1)
Stoich.:	A4B4C17D24 (1)
Weight, g/mol:	349.21139
ΔH_f, kcal/mol:	-146.75
Dipole, Da:	7.22
IP(EA), eV:	-9.4(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dimethylpyrazole-4-carbonyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1N2CCN(CC(C2)C(=O)N)C(=O)C3=CC=CC(=O)N3

DOS

IR

Vibrations