Geometry & MOs

Info

ID:	330566
PubChem CID:	127247973
Reduced:	O2N5C18H31 (1)
Stoich.:	A2B5C18D31 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	-52.4
Dipole, Da:	4.52
IP(EA), eV:	-8.53(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,1-trimethyl-4-pyrimidin-4-yl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCN(CC(C2)C(=O)NC)C3CCOCC3

DOS

IR

Vibrations