Geometry & MOs

Info

ID:	330576
PubChem CID:	127247983
Reduced:	O2N5C14H21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	327.136511
ΔH_f, kcal/mol:	-46.74
Dipole, Da:	1.8
IP(EA), eV:	-8.72(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-methylsulfonyl-4-pyrimidin-4-yl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)N(C)C)C2=NC=CN=C2

DOS

IR

Vibrations