Geometry & MOs

Info

ID:	306412
PubChem CID:	125011626
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-25.1
Dipole, Da:	2.7
IP(EA), eV:	-9.56(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[[2-[(2S)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]-1,4-diazepane

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)[C@H]2CCCN(C2)C(=O)CN3C=CC=NC3=O

DOS

IR

Vibrations