Geometry & MOs

Info

ID:	363337
PubChem CID:	127310866
Reduced:	OSN7C19H23 (1)
Stoich.:	ABC7D19E23 (1)
Weight, g/mol:	357.162332
ΔH_f, kcal/mol:	78.23
Dipole, Da:	6.99
IP(EA), eV:	-8.62(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N(C)C2CCN(CC2)C(=O)C3=CN=C(S3)C4=CN(N=C4)C

DOS

IR

Vibrations